On Tuesday, July 26, 2011 01:59:32 pm Thomas White wrote:
> On Thu, 21 Jul 2011 18:36:59 -0700 (PDT)
> Michael Thompson <[log in to unmask]> wrote:
>
> > I would like to view the intensity-weighted reciprocal lattice for
> > several data sets that I have collected. (The data have been indexed,
> > integrated and scaled with Denzo and Scalepack.) I was wondering if
> > anyone could offer some advice on what might be the best and/or most
> > practical way to do this?
The program "xrspace" in the XtalView package does this.
http://www.iucr.org/__data/assets/pdf_file/0010/8983/dem.pdf
You can produce files in the required format by using something
like this (example taken from the XtalView FAQ):
mtz2various hklin sm_phased_dm.mtz hklout sm_phased_dm.phs << eof
labin FP=F FOM=FOMDM PHIB=PHIDM
OUTPUT USER '(3I4,x,F7.2,3x,F7.2,3x,F7.2)'
END
eof
Ethan
>
> For the "Hollywood graphics" shown in various talks about the LCLS
> X-ray laser nanocrystal work, I generated something very similar to
> what you want. To do it, I wrote a program which ate a list of
> reflections and wrote a script for Persistence of Vision (raytracer),
> then invoked the raytracer in "animation mode" to make individual
> frames of animation before using a video encoding program (mencoder or
> Final Cut Pro) to stich them together. It was all a bit hacky, and it's
> a terrible way to visualise results for anything other than impressing
> audiences, but it did work. The code to do it is in our FEL
> crystallography suite which will be released publicly quite soon.
> Customising the animation is done by editing the source code, and isn't
> easy.
>
> For something a few years ago, I wrote a different program which,
> amongst many other things, showed a 3D reciprocal lattice weighted
> exactly how you describe and allowed you to roll it around and zoom in
> and out. If it sounds useful, I could resurrect that old code and tidy
> it up a bit to make it useful - there's not much to it. It could be
> useful for my own work, so I could prioritise it a little higher if it
> could be useful to other people...?
>
> Tom
>
--
Ethan A Merritt
Biomolecular Structure Center, K-428 Health Sciences Bldg
University of Washington, Seattle 98195-7742
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